7-benzyl-5-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine

C23H26N2O2 — CID 66886544

IUPAC7-benzyl-5-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine
SMILESCOc1cc(OC)cc(C2CC(Cc3ccccc3)CCc3cncn32)c1
InChIInChI=1S/C23H26N2O2/c1-26-21-12-19(13-22(14-21)27-2)23-11-18(10-17-6-4-3-5-7-17)8-9-20-15-24-16-25(20)23/h3-7,12-16,18,23H,8-11H2,1-2H3
InChIKeyVHLUSLIDHKGQNJ-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.68
Rot. Bonds5

About 7-benzyl-5-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine

7-benzyl-5-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine (PubChem CID 66886544) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 7-benzyl-5-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine.

Molecular Properties

Compound Name7-benzyl-5-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine
PubChem CID66886544
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name7-benzyl-5-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine
SMILESCOc1cc(OC)cc(C2CC(Cc3ccccc3)CCc3cncn32)c1
InChIInChI=1S/C23H26N2O2/c1-26-21-12-19(13-22(14-21)27-2)23-11-18(10-17-6-4-3-5-7-17)8-9-20-15-24-16-25(20)23/h3-7,12-16,18,23H,8-11H2,1-2H3
InChIKeyVHLUSLIDHKGQNJ-UHFFFAOYSA-N
XLogP4.68
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-5-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine?
The IUPAC name of 7-benzyl-5-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine (CID 66886544) is 7-benzyl-5-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine.
What is the SMILES notation for 7-benzyl-5-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine?
The canonical SMILES for 7-benzyl-5-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine is COc1cc(OC)cc(C2CC(Cc3ccccc3)CCc3cncn32)c1.
What is the InChIKey of 7-benzyl-5-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine?
The InChIKey is VHLUSLIDHKGQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-26-21-12-19(13-22(14-21)27-2)23-11-18(10-17-6-4-3-5-7-17)8-9-20-15-24-16-25(20)23/h3-7,12-16,18,23H,8-11H2,1-2H3.
What are the key properties of 7-benzyl-5-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine?
7-benzyl-5-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine has a molecular weight of 362.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-5-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine is sourced from PubChem (CID 66886544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).